cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate

C18H26N2O2 — CID 142003345

IUPACcyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate
SMILESNC1CCCCC1.O.[H]/N=C/c1ccc(CO)c2ccccc12
InChIInChI=1S/C12H11NO.C6H13N.H2O/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;7-6-4-2-1-3-5-6;/h1-7,13-14H,8H2;6H,1-5,7H2;1H2/b13-7+;;
InChIKeyMSRSYYFYAMBIEU-JOZOFPPJSA-N
MW302.42 g/mol
LogP2.78
Rot. Bonds2

About cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate

cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate (PubChem CID 142003345) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate.

Molecular Properties

Compound Namecyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate
PubChem CID142003345
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namecyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate
SMILESNC1CCCCC1.O.[H]/N=C/c1ccc(CO)c2ccccc12
InChIInChI=1S/C12H11NO.C6H13N.H2O/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;7-6-4-2-1-3-5-6;/h1-7,13-14H,8H2;6H,1-5,7H2;1H2/b13-7+;;
InChIKeyMSRSYYFYAMBIEU-JOZOFPPJSA-N
XLogP2.78
TPSA101.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate?
The IUPAC name of cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate (CID 142003345) is cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate.
What is the SMILES notation for cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate?
The canonical SMILES for cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate is NC1CCCCC1.O.[H]/N=C/c1ccc(CO)c2ccccc12.
What is the InChIKey of cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate?
The InChIKey is MSRSYYFYAMBIEU-JOZOFPPJSA-N. The full InChI is InChI=1S/C12H11NO.C6H13N.H2O/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;7-6-4-2-1-3-5-6;/h1-7,13-14H,8H2;6H,1-5,7H2;1H2/b13-7+;;.
What are the key properties of cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate?
cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate has a molecular weight of 302.42 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate is sourced from PubChem (CID 142003345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).